2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile

C20H25N5 — CID 84745091

IUPAC2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile
SMILESN#CC(c1cnc(-c2ccccc2)[nH]1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H25N5/c21-14-19(18-15-22-20(23-18)16-6-2-1-3-7-16)25-12-10-24(11-13-25)17-8-4-5-9-17/h1-3,6-7,15,17,19H,4-5,8-13H2,(H,22,23)
InChIKeyQQAACDCSZMFVCX-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile

2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile (PubChem CID 84745091) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile
PubChem CID84745091
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile
SMILESN#CC(c1cnc(-c2ccccc2)[nH]1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H25N5/c21-14-19(18-15-22-20(23-18)16-6-2-1-3-7-16)25-12-10-24(11-13-25)17-8-4-5-9-17/h1-3,6-7,15,17,19H,4-5,8-13H2,(H,22,23)
InChIKeyQQAACDCSZMFVCX-UHFFFAOYSA-N
XLogP3.20
TPSA58.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile (CID 84745091) is 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile is N#CC(c1cnc(-c2ccccc2)[nH]1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile?
The InChIKey is QQAACDCSZMFVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c21-14-19(18-15-22-20(23-18)16-6-2-1-3-7-16)25-12-10-24(11-13-25)17-8-4-5-9-17/h1-3,6-7,15,17,19H,4-5,8-13H2,(H,22,23).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile?
2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile has a molecular weight of 335.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-2-(2-phenyl-1H-imidazol-5-yl)acetonitrile is sourced from PubChem (CID 84745091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).